1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H16F3N5O3 — CID 46634730

IUPAC1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCC3CCCO3)c2C(F)(F)F)nn1
InChIInChI=1S/C15H16F3N5O3/c1-25-12-5-4-11(21-22-12)23-13(15(16,17)18)10(8-20-23)14(24)19-7-9-3-2-6-26-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,24)
InChIKeyMVGDUCDOWFMJPM-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.60
Rot. Bonds5

About 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46634730) has the molecular formula C15H16F3N5O3 and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46634730
Molecular FormulaC15H16F3N5O3
Molecular Weight371.32 g/mol
Exact Mass371.12
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCC3CCCO3)c2C(F)(F)F)nn1
InChIInChI=1S/C15H16F3N5O3/c1-25-12-5-4-11(21-22-12)23-13(15(16,17)18)10(8-20-23)14(24)19-7-9-3-2-6-26-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,24)
InChIKeyMVGDUCDOWFMJPM-UHFFFAOYSA-N
XLogP1.60
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42818227
methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate
CID 46491304
1-(6-methoxypyridazin-3-yl)-N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55555860
N-[[4-(ethoxymethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 37357760
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56578128
N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39489825
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51129061
(4-cyclopentylpiperazin-1-yl)-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55584525
N-[(3-bromo-5-fluorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55907787
N-[4-(azepan-1-yl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55545330
1-(6-methoxypyridazin-3-yl)-N-(4-phenylbutan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46418578
N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530877

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 46634730) is 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)NCC3CCCO3)c2C(F)(F)F)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MVGDUCDOWFMJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3/c1-25-12-5-4-11(21-22-12)23-13(15(16,17)18)10(8-20-23)14(24)19-7-9-3-2-6-26-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,24).
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46634730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).